SCHEMBL12524243

SCHEMBL12524243

CC(O)(C#Cc1ccc2c(C(=O)NCN)nn(-c3ccnc(N)n3)c2c1)c1ncccn1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 13/20 0.47
▸ PAK4 O96013 3/20 0.47
▸ PIKFYVE Q9Y2I7 1/20 0.47
▸ PRKD1 Q15139 2/20 0.41
▸ TTBK1 Q5TCY1 5/20 0.39
▸ TTBK2 Q6IQ55 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11970647 0.93 MAP3K14 (0.47) MAP3K14PAK4PIKFYVEPRKD1TTBK1
SCHEMBL11970639 0.88 PAK4 (0.52) MAP3K14PAK4PIKFYVEPRKD1TTBK1
SCHEMBL11971109 0.86 MAP3K14 (0.49) MAP3K14PAK4PIKFYVEPRKD1TTBK1
SCHEMBL11970868 0.85 PAK4 (0.46) MAP3K14PAK4PIKFYVEPRKD1TTBK1
SCHEMBL11970625 0.85 MAP3K14 (0.44) MAP3K14PAK4PIKFYVEPRKD1TTBK1
SCHEMBL12525999 0.83 MAP3K14 (0.40) MAP3K14PAK4PIKFYVE
SCHEMBL11970518 0.83 PAK4 (0.44) MAP3K14PAK4PIKFYVEPRKD1TTBK1
SCHEMBL11970497 0.82 PAK4 (0.55) MAP3K14PAK4PIKFYVEPRKD1TTBK1
SCHEMBL11970738 0.82 MAP3K14 (0.46) MAP3K14PAK4PIKFYVEPRKD1TTBK1
SCHEMBL11970819 0.82 MAP3K14 (0.46) MAP3K14PAK4PIKFYVEPRKD1TTBK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012123522-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 — — WO disclosed
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